Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH LEU 114.A O no hydrogen 2.488 N/A GLU 4.A N ASN 1.A OD1 no hydrogen 3.021 N/A SER 5.A N ASN 1.A O no hydrogen 3.138 N/A ALA 6.A N TYR 2.A O no hydrogen 2.840 N/A LEU 7.A N GLU 3.A O no hydrogen 2.973 N/A PHE 8.A N GLU 4.A O no hydrogen 3.042 N/A GLU 9.A N SER 5.A O no hydrogen 2.963 N/A HIS 10.A N ALA 6.A O no hydrogen 2.976 N/A HIS 10.A ND1 TYR 107.A OH no hydrogen 2.670 N/A HIS 10.A NE2 SER 62.A OG no hydrogen 3.071 N/A GLN 11.A N LEU 7.A O no hydrogen 2.815 N/A PHE 12.A N PHE 8.A O no hydrogen 2.986 N/A TRP 13.A N GLU 9.A O no hydrogen 2.807 N/A TRP 13.A NE1 TYR 237.A OH no hydrogen 3.141 N/A LEU 14.A N HIS 10.A O no hydrogen 2.751 N/A LYS 15.A N GLN 11.A O no hydrogen 3.444 N/A LYS 15.A NZ LEU 256.A O no hydrogen 3.411 N/A VAL 16.A N PHE 12.A O no hydrogen 3.174 N/A LEU 17.A N TRP 13.A O no hydrogen 2.956 N/A THR 18.A N LEU 14.A O no hydrogen 2.896 N/A THR 18.A OG1 LEU 14.A O no hydrogen 2.614 N/A ASP 19.A N LYS 15.A O no hydrogen 2.863 N/A HIS 20.A N VAL 16.A O no hydrogen 2.920 N/A ALA 21.A N LEU 17.A O no hydrogen 3.135 N/A GLN 22.A N THR 18.A O no hydrogen 3.056 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.522 N/A GLN 22.A NE2 ASP 26.A OD1 no hydrogen 2.953 N/A GLN 22.A NE2 ASP 26.A OD2 no hydrogen 3.509 N/A PHE 23.A N ASP 19.A O no hydrogen 2.705 N/A LEU 24.A N HIS 20.A O no hydrogen 2.882 N/A LEU 25.A N ALA 21.A O no hydrogen 2.950 N/A ASP 26.A N GLN 22.A O no hydrogen 3.069 N/A ALA 27.A N PHE 23.A O no hydrogen 3.012 N/A ALA 27.A N LEU 24.A O no hydrogen 3.259 N/A LEU 28.A N LEU 24.A O no hydrogen 3.142 N/A ALA 29.A N THR 89.A O no hydrogen 3.116 N/A LYS 31.A NZ THR 89.A OG1 no hydrogen 3.263 N/A GLU 32.A N ALA 29.A O no hydrogen 2.841 N/A LYS 33.A N LYS 31.A O no hydrogen 2.864 N/A LYS 33.A NZ PRO 30.A O no hydrogen 3.214 N/A ILE 36.A N GLU 32.A O no hydrogen 3.060 N/A LYS 37.A N LYS 33.A O no hydrogen 3.096 N/A LYS 37.A NZ GLU 34.A OE1.B no hydrogen 2.762 N/A LYS 38.A N GLU 34.A O no hydrogen 3.129 N/A ALA 39.A N ASP 35.A O no hydrogen 2.798 N/A THR 40.A N ILE 36.A O no hydrogen 2.782 N/A THR 40.A OG1 ILE 36.A O no hydrogen 2.704 N/A TYR 41.A N LYS 37.A O no hydrogen 3.010 N/A PHE 42.A N LYS 38.A O no hydrogen 2.946 N/A VAL 43.A N ALA 39.A O no hydrogen 2.893 N/A GLU 44.A N THR 40.A O no hydrogen 3.031 N/A THR 45.A N TYR 41.A O no hydrogen 2.820 N/A THR 45.A OG1 TYR 41.A O no hydrogen 2.830 N/A PHE 46.A N PHE 42.A O no hydrogen 2.995 N/A THR 47.A N VAL 43.A O no hydrogen 3.026 N/A THR 47.A OG1 VAL 43.A O no hydrogen 2.736 N/A ASN 48.A N GLU 44.A O no hydrogen 3.031 N/A LEU 49.A N THR 45.A O no hydrogen 3.096 N/A LEU 50.A N PHE 46.A O no hydrogen 2.883 N/A ASN 51.A N THR 47.A O no hydrogen 3.036 N/A LYS 52.A N ASN 48.A O no hydrogen 3.193 N/A LYS 52.A NZ GLU 64.A OE1 no hydrogen 2.846 N/A VAL 53.A N LEU 50.A O no hydrogen 3.486 N/A ARG 54.A NH2 ASN 51.A O no hydrogen 3.221 N/A ASN 55.A N LYS 52.A O no hydrogen 3.118 N/A PHE 61.A N ASN 57.A O no hydrogen 2.731 N/A SER 62.A N LEU 58.A O no hydrogen 2.944 N/A SER 62.A OG HIS 10.A NE2 no hydrogen 3.071 N/A SER 62.A OG LEU 58.A O no hydrogen 2.652 N/A LYS 63.A N ALA 60.A O no hydrogen 3.021 N/A GLU 64.A N ALA 60.A O no hydrogen 3.380 N/A ALA 65.A N PHE 61.A O no hydrogen 2.961 N/A GLU 66.A N SER 62.A O no hydrogen 3.018 N/A GLN 67.A N LYS 63.A O no hydrogen 3.208 N/A GLN 67.A NE2 GLU 71.A OE2 no hydrogen 2.414 N/A ALA 68.A N GLU 64.A O no hydrogen 3.078 N/A ALA 69.A N ALA 65.A O no hydrogen 2.795 N/A LYS 70.A N GLU 66.A O no hydrogen 2.911 N/A GLU 71.A N GLN 67.A O no hydrogen 3.072 N/A ILE 72.A N ALA 68.A O no hydrogen 2.923 N/A ARG 73.A N ALA 69.A O no hydrogen 2.921 N/A ARG 73.A NE GLU 105.A OE1 no hydrogen 2.885 N/A ARG 73.A NH2 GLU 105.A OE1 no hydrogen 3.083 N/A ALA 74.A N LYS 70.A O no hydrogen 3.066 N/A PHE 75.A N GLU 71.A O no hydrogen 3.107 N/A LYS 76.A N ILE 72.A O no hydrogen 2.943 N/A LYS 76.A NZ HIS 20.A ND1 no hydrogen 2.973 N/A LYS 76.A NZ MET 100.A O no hydrogen 3.318 N/A LEU 77.A N ARG 73.A O no hydrogen 2.976 N/A ASN 78.A N ALA 74.A O no hydrogen 2.985 N/A ILE 79.A N PHE 75.A O no hydrogen 2.908 N/A ILE 80.A N LYS 76.A O no hydrogen 2.945 N/A GLN 81.A N LEU 77.A O no hydrogen 2.840 N/A LYS 82.A N ASN 78.A O no hydrogen 3.090 N/A LYS 82.A NZ ASP 35.A OD2 no hydrogen 2.586 N/A GLN 83.A N ILE 79.A O no hydrogen 2.972 N/A GLN 83.A NE2 PHE 92.A O no hydrogen 2.743 N/A LEU 84.A N ILE 80.A O no hydrogen 2.981 N/A GLU 85.A N LYS 82.A O no hydrogen 3.196 N/A GLY 86.A N GLN 83.A O no hydrogen 3.056 N/A LYS 87.A N LYS 82.A O no hydrogen 2.562 N/A THR 89.A N GLU 32.A OE2 no hydrogen 2.780 N/A HIS 91.A N ALA 27.A O no hydrogen 2.755 N/A ILE 97.A N THR 93.A O no hydrogen 3.287 N/A ASN 98.A N PRO 94.A O no hydrogen 2.843 N/A HIS 99.A N THR 95.A O no hydrogen 2.850 N/A MET 100.A N PHE 96.A O no hydrogen 3.230 N/A VAL 101.A N ILE 97.A O no hydrogen 2.886 N/A ASN 102.A N ASN 98.A O no hydrogen 3.071 N/A GLU 103.A N HIS 99.A O no hydrogen 2.951 N/A VAL 104.A N MET 100.A O no hydrogen 2.947 N/A GLU 105.A N VAL 101.A O no hydrogen 2.850 N/A GLU 106.A N ASN 102.A O no hydrogen 3.168 N/A GLU 106.A N GLU 103.A O no hydrogen 2.982 N/A TYR 107.A N GLU 103.A O no hydrogen 3.169 N/A TYR 107.A OH HIS 10.A ND1 no hydrogen 2.670 N/A ILE 108.A N VAL 104.A O no hydrogen 2.941 N/A ALA 109.A N GLU 105.A O no hydrogen 2.988 N/A VAL 110.A N GLU 106.A O no hydrogen 3.136 N/A LEU 111.A N TYR 107.A O no hydrogen 2.837 N/A GLU 112.A N ALA 109.A O no hydrogen 3.397 N/A LEU 114.A N VAL 110.A O no hydrogen 2.925 N/A LYS 115.A N LEU 111.A O no hydrogen 2.903 N/A LYS 115.A NZ GLU 66.A OE1 no hydrogen 3.015 N/A LYS 115.A NZ GLU 66.A OE2 no hydrogen 2.822 N/A LYS 116.A N PHE 113.A O no hydrogen 2.963 N/A GLY 117.A N LEU 114.A O no hydrogen 3.182 N/A GLU 118.A N PHE 113.A O no hydrogen 3.002 N/A PHE 123.A N TYR 128.A OH no hydrogen 2.991 N/A HIS 124.A NE2 HIS 184.A O no hydrogen 2.848 N/A LEU 126.A N HIS 124.A ND1 no hydrogen 2.970 N/A HIS 127.A N HIS 124.A O no hydrogen 2.837 N/A HIS 127.A NE2 GLU 106.A OE2 no hydrogen 2.707 N/A HIS 129.A N GLU 125.A O no hydrogen 2.982 N/A HIS 129.A ND1 TYR 238.A OH no hydrogen 2.802 N/A HIS 129.A NE2 THR 193.A OG1 no hydrogen 2.764 N/A LEU 130.A N LEU 126.A O no hydrogen 2.982 N/A VAL 131.A N HIS 127.A O no hydrogen 3.327 N/A VAL 131.A N TYR 128.A O no hydrogen 3.199 N/A TRP 132.A N TYR 128.A O no hydrogen 2.878 N/A LEU 133.A N HIS 129.A O no hydrogen 3.005 N/A THR 134.A OG1 VAL 131.A O no hydrogen 3.550 N/A ALA 136.A N TRP 132.A O no hydrogen 2.847 N/A ALA 137.A N LEU 133.A O no hydrogen 2.915 N/A GLY 138.A N THR 134.A O no hydrogen 2.878 N/A HIS 139.A N ASP 135.A O no hydrogen 2.924 N/A HIS 139.A ND1 GLU 235.A OE1 no hydrogen 2.505 N/A ALA 140.A N ALA 136.A O no hydrogen 3.097 N/A GLY 141.A N ALA 137.A O no hydrogen 2.831 N/A SER 142.A N GLY 138.A O no hydrogen 2.838 N/A SER 142.A OG GLY 138.A O no hydrogen 3.424 N/A SER 142.A OG HIS 139.A O no hydrogen 3.210 N/A ILE 143.A N HIS 139.A O no hydrogen 3.058 N/A SER 144.A N ALA 140.A O no hydrogen 2.975 N/A SER 144.A OG SER 158.A OG no hydrogen 2.883 N/A GLY 145.A N GLY 141.A O no hydrogen 3.038 N/A GLY 146.A N SER 142.A O no hydrogen 2.910 N/A GLY 146.A N ILE 143.A O no hydrogen 3.078 N/A LEU 147.A N ILE 143.A O no hydrogen 3.115 N/A ASP 148.A N LEU 220.A O no hydrogen 2.801 N/A VAL 150.A N ASP 148.A OD2 no hydrogen 3.016 N/A GLU 151.A N ASP 148.A O no hydrogen 3.037 N/A LYS 152.A NZ LEU 149.A O no hydrogen 3.142 N/A LYS 155.A N GLU 151.A O no hydrogen 2.905 N/A GLU 156.A N LYS 152.A O no hydrogen 2.790 N/A LYS 157.A N ARG 153.A O no hydrogen 3.280 N/A SER 158.A N LEU 154.A O no hydrogen 3.030 N/A SER 158.A OG SER 144.A OG no hydrogen 2.883 N/A SER 158.A OG LEU 154.A O no hydrogen 3.321 N/A SER 158.A OG LYS 155.A O no hydrogen 3.350 N/A GLU 159.A N LYS 155.A O no hydrogen 3.014 N/A GLU 160.A N GLU 156.A O no hydrogen 3.154 N/A PHE 161.A N LYS 157.A O no hydrogen 3.185 N/A THR 162.A N SER 158.A O no hydrogen 2.900 N/A THR 162.A OG1 SER 158.A O no hydrogen 2.750 N/A LYS 163.A N GLU 159.A O no hydrogen 2.956 N/A HIS 164.A N GLU 160.A O no hydrogen 2.967 N/A HIS 164.A ND1 GLU 199.A OE2 no hydrogen 2.871 N/A PHE 165.A N PHE 161.A O no hydrogen 2.911 N/A GLU 166.A N THR 162.A O no hydrogen 2.976 N/A GLN 167.A N LYS 163.A O no hydrogen 2.936 N/A PHE 168.A N HIS 164.A O no hydrogen 2.877 N/A TYR 169.A N PHE 165.A O no hydrogen 2.738 N/A LEU 170.A N GLU 166.A O no hydrogen 2.980 N/A LYS 171.A N GLN 167.A O no hydrogen 3.209 N/A ALA 172.A N PHE 168.A O no hydrogen 2.908 N/A VAL 173.A N TYR 169.A O no hydrogen 2.857 N/A GLU 174.A N LEU 170.A O no hydrogen 3.138 N/A MET 175.A N LYS 171.A O no hydrogen 2.932 N/A THR 176.A N ALA 172.A O no hydrogen 2.933 N/A THR 176.A OG1 ALA 172.A O no hydrogen 2.868 N/A GLY 177.A N VAL 173.A O no hydrogen 3.407 N/A TYR 178.A N GLU 174.A O no hydrogen 3.000 N/A LEU 179.A N MET 175.A O no hydrogen 3.309 N/A LEU 179.A N THR 176.A O no hydrogen 3.277 N/A ARG 180.A N GLY 177.A O no hydrogen 3.165 N/A ARG 180.A NE GLY 177.A O no hydrogen 2.957 N/A THR 181.A N TYR 178.A O no hydrogen 2.959 N/A THR 181.A OG1 TYR 178.A O no hydrogen 2.803 N/A GLU 182.A N LEU 179.A O no hydrogen 2.777 N/A LEU 183.A N THR 181.A OG1 no hydrogen 3.008 N/A LEU 189.A N PHE 186.A O no hydrogen 3.105 N/A LYS 190.A N PHE 186.A O no hydrogen 3.218 N/A LYS 190.A NZ GLU 125.A OE1 no hydrogen 2.893 N/A LYS 191.A N PRO 187.A O no hydrogen 3.003 N/A PHE 192.A N ALA 188.A O no hydrogen 3.021 N/A THR 193.A N LEU 189.A O no hydrogen 2.947 N/A THR 193.A OG1 GLU 125.A OE2 no hydrogen 2.733 N/A THR 193.A OG1 HIS 129.A NE2 no hydrogen 2.764 N/A THR 193.A OG1 LEU 189.A O no hydrogen 3.305 N/A LYS 194.A N LYS 190.A O no hydrogen 3.036 N/A ASP 195.A N LYS 191.A O no hydrogen 2.913 N/A VAL 196.A N PHE 192.A O no hydrogen 2.917 N/A SER 197.A N THR 193.A O no hydrogen 2.932 N/A SER 197.A OG THR 193.A O no hydrogen 2.765 N/A LEU 198.A N LYS 194.A O no hydrogen 3.054 N/A GLU 199.A N ASP 195.A O no hydrogen 3.169 N/A LEU 200.A N VAL 196.A O no hydrogen 2.882 N/A LYS 201.A N SER 197.A O no hydrogen 3.027 N/A LEU 202.A N LEU 198.A O no hydrogen 3.019 N/A PHE 203.A N GLU 199.A O no hydrogen 2.875 N/A SER 204.A N LEU 200.A O no hydrogen 2.896 N/A SER 204.A OG LEU 200.A O no hydrogen 2.849 N/A HIS 205.A N LYS 201.A O no hydrogen 3.229 N/A PHE 206.A N LEU 202.A O no hydrogen 3.041 N/A LEU 207.A N PHE 203.A O no hydrogen 2.740 N/A HIS 208.A N SER 204.A O no hydrogen 2.930 N/A GLU 209.A N.A HIS 205.A O no hydrogen 2.911 N/A GLU 209.A N.B HIS 205.A O no hydrogen 2.915 N/A VAL 210.A N PHE 206.A O no hydrogen 2.823 N/A GLU 211.A N LEU 207.A O no hydrogen 2.927 N/A GLU 212.A N HIS 208.A O no hydrogen 3.164 N/A LEU 213.A N GLU 209.A O.A no hydrogen 3.083 N/A LEU 213.A N GLU 209.A O.B no hydrogen 3.048 N/A GLU 214.A N VAL 210.A O no hydrogen 2.935 N/A LEU 215.A N GLU 211.A O no hydrogen 2.899 N/A SER 216.A N GLU 212.A O no hydrogen 2.988 N/A SER 216.A OG GLU 212.A O no hydrogen 2.829 N/A SER 216.A OG LEU 213.A O no hydrogen 3.422 N/A ASN 217.A N GLU 214.A O no hydrogen 3.223 N/A GLU 218.A N LEU 213.A O no hydrogen 2.796 N/A LEU 220.A N GLU 151.A OE2 no hydrogen 2.649 N/A SER 221.A OG GLU 214.A OE1 no hydrogen 2.514 N/A VAL 222.A N GLY 146.A O no hydrogen 2.862 N/A LEU 223.A N SER 221.A OG no hydrogen 2.914 N/A ARG 226.A NE ASP 19.A OD2 no hydrogen 3.006 N/A ARG 226.A NH2 ASP 19.A OD2 no hydrogen 2.881 N/A MET 227.A N SER 224.A OG no hydrogen 2.878 N/A ALA 228.A N SER 224.A O no hydrogen 3.219 N/A ASP 229.A N ALA 225.A O no hydrogen 2.923 N/A HIS 230.A N ARG 226.A O no hydrogen 2.873 N/A HIS 230.A ND1 ASP 19.A OD1 no hydrogen 2.678 N/A MET 231.A N MET 227.A O no hydrogen 2.877 N/A ALA 232.A N ALA 228.A O no hydrogen 2.952 N/A ARG 233.A N ASP 229.A O no hydrogen 2.898 N/A ARG 233.A NE ASP 229.A OD1 no hydrogen 3.454 N/A ARG 233.A NE ASP 229.A OD2 no hydrogen 3.112 N/A ARG 233.A NH1 ASP 19.A OD1 no hydrogen 2.681 N/A ARG 233.A NH1 ASP 229.A OD2 no hydrogen 2.762 N/A ARG 233.A NH2 ASP 19.A OD1 no hydrogen 3.047 N/A GLU 234.A N HIS 230.A O no hydrogen 3.072 N/A GLU 235.A N MET 231.A O no hydrogen 2.999 N/A CYS 236.A N ALA 232.A O no hydrogen 2.982 N/A TYR 237.A N ARG 233.A O no hydrogen 3.053 N/A TYR 237.A OH GLU 9.A OE1 no hydrogen 3.391 N/A TYR 237.A OH GLU 9.A OE2 no hydrogen 2.629 N/A TYR 238.A N GLU 234.A O no hydrogen 2.994 N/A TYR 238.A OH HIS 129.A ND1 no hydrogen 2.802 N/A LEU 239.A N GLU 235.A O no hydrogen 2.818 N/A LEU 240.A N CYS 236.A O no hydrogen 2.865 N/A LYS 241.A N TYR 237.A O no hydrogen 2.903 N/A LYS 241.A NZ GLU 9.A OE1 no hydrogen 2.598 N/A LEU 242.A N TYR 238.A O no hydrogen 3.024 N/A ALA 243.A N LEU 239.A O no hydrogen 2.933 N/A GLN 244.A N LEU 240.A O no hydrogen 2.983 N/A SER 245.A N LYS 241.A O no hydrogen 2.988 N/A SER 245.A OG LYS 241.A O no hydrogen 2.762 N/A SER 246.A N LEU 242.A O no hydrogen 2.812 N/A SER 246.A OG GLU 125.A OE2 no hydrogen 2.694 N/A GLY 247.A N ALA 243.A O no hydrogen 2.880 N/A LEU 248.A N ALA 243.A O no hydrogen 2.945 N/A LEU 256.A N ASN 254.A OD1 no hydrogen 3.180 N/A GLU 257.A N ASN 254.A O no hydrogen 3.356 N/A